CALCULATION OF THE ENTROPY OF LIQUID CHLORINE AND BROMINE BY COMPUTER-SIMULATION

被引：106

作者：

ROMANO, S

SINGER, K

机构：

[1] UNIV SOUTHAMPTON,DEPT CHEM,SOUTHAMPTON SO9 5NH,HAMPSHIRE,ENGLAND

[2] UNIV LONDON ROYAL HOLLOWAY COLL,DEPT CHEM,EGHAM TW20 0EX,SURREY,ENGLAND

来源：

MOLECULAR PHYSICS | 1979年 / 37卷 / 06期

关键词：

D O I：

10.1080/00268977900101311

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The method of Widom [1] has been used to calculate the chemical potential of liquid chlorine and bromine in Monte Carlo simulations based on the two Lennard-Jones centres potential. The agreement between the computed and experimental entropies and vapour pressures over the range T*1 to 1.8 is satisfactory. © 1979 Taylor & Francis Group, LLC.

引用

页码：1765 / 1772

页数：8

共 18 条

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